1-(2,3-dihydroindol-1-yl)-4-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-indolin-1-yl-4-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydroindol-1-yl)-4-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-indolin-1-yl-4-[4-(3-thenyl)-1,4-diazepan-1-yl]butane-1,4-dione Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC(=O)N2CCC3=CC=CC=C32)CC4=CSC=C4

InChI

InChI=1S/C22H27N3O2S/c26-21(6-7-22(27)25-12-8-19-4-1-2-5-20(19)25)24-11-3-10-23(13-14-24)16-18-9-15-28-17-18/h1-2,4-5,9,15,17H,3,6-8,10-14,16H2